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210907-84-9

210907-84-9 Structure

210907-84-9 Structure
IdentificationMore
[Name]

3-Aminophenylboronic acid pinacol ester
[CAS]

210907-84-9
[Synonyms]

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
3-AMINOPHENYLBORONIC ACID, PINACOL CYCLIC ESTER
3-AMINOPHENYLBORONIC ACID PINACOL ESTER
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-ANILINE 97%
3-Aminobenzeneboronic acid pinacol ester, 97%
[Molecular Formula]

C12H20BNO3
[MDL Number]

MFCD03453668
[Molecular Weight]

237.1
[MOL File]

210907-84-9.mol
Chemical PropertiesBack Directory
[Appearance]

light brown crystals or powder
[Melting point ]

90-94 °C (lit.)
[Boiling point ]

351.2±25.0 °C(Predicted)
[density ]

1.05±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator (+4°C)
[solubility ]

very soluble in Methanol
[form ]

solid
[pka]

4.56±0.10(Predicted)
[color ]

white to brown
[Water Solubility ]

Insoluble
[InChI]

1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3
[InChIKey]

YMXIIVIQLHYKOT-UHFFFAOYSA-N
[SMILES]

CC1(C)OB(OC1(C)C)c2cccc(N)c2
[CAS DataBase Reference]

210907-84-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

No
[HS Code ]

29310099
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

light brown crystals or powder
[Uses]

3-Aminophenylboronic acid pinacol ester can be used:
  • As a starting material for the synthesis of 6-(hetero)arylthieno[3,2-b]pyridines, which are known to inhibit human tumor cells selectively.
  • In the functionalization of deuteroporphyrin IX dimethyl ester through Suzuki-Miyaura coupling.
  • To prepare benzo[d]oxazole based type-I FLT3-ITD inhibitors.

Spectrum DetailBack Directory
[Spectrum Detail]

3-Aminophenylboronic acid pinacol ester(210907-84-9)1HNMR
3-Aminophenylboronic acid pinacol ester(210907-84-9)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, 97%(210907-84-9)
[Alfa Aesar]

3-Aminobenzeneboronic acid pinacol ester, 97%(210907-84-9)
[Sigma Aldrich]

210907-84-9(sigmaaldrich)
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